Information card for entry 7219536

Structure parameters

• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: S=C(Nc1ccccc1)C1C(=O)CC(CC1=O)(C)C
• Title of publication: [Et3NH][HSO4]-catalyzed eco-friendly and expeditious synthesis of thiazolidine and oxazolidine derivatives
• Authors of publication: Malla, Ali Mohammed; Parveen, Mehtab; Ahmad, Faheem; Azaz, Shaista; Alam, Mahboob
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.298 ± 0.005 Å
• b: 9.09 ± 0.005 Å
• c: 10.762 ± 0.005 Å
• α: 75.5 ± 0.005°
• β: 78.979 ± 0.005°
• γ: 89.218 ± 0.005°
• Cell volume: 678 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No